Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM25550 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C100H178N4O47 charge 0 mass 2187.16614 reference lipidmapsM:LMSP0505BI04 InChIKey MDBRBQZEUGWPNI-NTWVQTDRSA-N InChI InChI=1S/C100H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-64(117)104-54(55(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)49-134-95-80(130)77(127)86(62(47-111)143-95)146-99-81(131)89(70(120)57(42-106)138-99)149-93-66(102-52(5)114)74(124)85(61(46-110)141-93)145-98-82(132)91(72(122)58(43-107)137-98)151-94-67(103-53(6)115)88(148-96-78(128)75(125)68(118)50(3)135-96)87(63(48-112)142-94)147-100-83(133)90(71(121)59(44-108)139-100)150-92-65(101-51(4)113)73(123)84(60(45-109)140-92)144-97-79(129)76(126)69(119)56(41-105)136-97/h37,39,50,54-63,65-100,105-112,116,118-133H,7-36,38,40-49H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,117)/b39-37+/t50?,54-,55+,56?,57?,58?,59?,60?,61?,62?,63?,65?,66?,67?,68+,69-,70-,71-,72-,73+,74+,75?,76-,77+,78-,79?,80?,81?,82?,83?,84+,85+,86+,87+,88+,89-,90-,91-,92-,93-,94-,95+,96+,97-,98-,99-,100-/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@@H]7OC(CO)[C@@H](O[C@@H]8OC(CO)[C@H](O)[C@H](O)C8O)[C@H](O)C7NC(C)=O)C6O)[C@H](O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph